(3R,4S)-3,4-Dihydro-3-hydroxy-1-methyl-4,5-diphenyl-2(1H)-pyridinone
PubChem CID: 24874130
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| Compound Synonyms | DTXSID201158618, (3R,4S)-3,4-Dihydro-3-hydroxy-1-methyl-4,5-diphenyl-2(1H)-pyridinone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C2CCCCC2)C(C2CCCCC2)C1 |
| Deep Smiles | O=CNC)C=C[C@@H][C@H]6O))cccccc6)))))))cccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)C(C2CCCCC2)CN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4S)-3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H17NO2 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)C(c2ccccc2)=CN1 |
| Inchi Key | INMHUVDZWKKAOF-DLBZAZTESA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | homoclausenamide |
| Esol Class | Soluble |
| Functional Groups | CO, cC1=CN(C)C(=O)CC1 |
| Compound Name | (3R,4S)-3,4-Dihydro-3-hydroxy-1-methyl-4,5-diphenyl-2(1H)-pyridinone |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3/t16-,17+/m0/s1 |
| Smiles | CN1C=C([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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